ethyl 2-[2-[(4-bromophenyl)methyl-methyl-amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(4-bromophenyl)methyl-methyl-amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(4-bromophenyl)methyl-methyl-amino]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(4-bromophenyl)methyl-methylamino]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-bromobenzyl)-methyl-amino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CN(C)CC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CN(C)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN2O3S/c1-3-23-17(22)14-8-9-24-16(14)19-15(21)11-20(2)10-12-4-6-13(18)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,19,21)